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Title: The dynamical stereochemistry of photon-initiated bimolecular reactions
Author: Alexander, Andrew James
Awarding Body: University of Oxford
Current Institution: University of Oxford
Date of Award: 1997
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The product state specific stereodynamics of the photon–initiated reaction of O(¹D₂) with H₂ has been investigated by polarised Doppler–resolved laser induced fluorescence, under room temperature bulb conditions. Product state resolved differential cross sections, excitation functions and rotational angular momentum alignments are reported for the following product channels, O(¹D₂) + H₂(¹Σ+g ; v = 0) -> OH(X²Pi; v' = 0;N' = 14; f) + H(²S). at a mean collision energy of 12 kJ mol-1. The data are compared with extensive state resolved quasi–classical trajectory (QCT) calculations of the linear and angular momentum distributions and excitation functions conducted on the Schinke–Lester (SL1) and K ab initio ground state (1¹A') potential energy surfaces. Overall, good agreement is obtained between the QCT calculated and experimentally determined stereodynamical features. The results are discussed in light of other recent work on this prototypical insertion reaction, and on the related systems of O(¹D₂) + HD and CH₄.
Supervisor: Simons, John P. Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available
Keywords: Photochemistry and reaction dynamics ; stereodynamics ; bimolecular reaction ; polarization ; insertion reaction Chemistry, Physical and theoretical